USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 CYS SG : rot -7:sc= -1.26 USER MOD Set 1.2: A 9 ASN : amide:sc= -0.0864 X(o=-1.3,f=-1.3) USER MOD Single : A 1 MET CE :methyl 132:sc= -0.0928 (180deg=-0.556) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.39 (180deg=0.697) USER MOD Single : A 2 SER OG : rot 18:sc= 1.16 USER MOD Single : A 18 ASN : amide:sc= -1.57 K(o=-1.6,f=-8.4!) USER MOD Single : A 20 SER OG : rot 2:sc= -0.0876 USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= -0.0645 (180deg=-0.296) USER MOD Single : A 26 LYS NZ :NH3+ -125:sc= 1.09 (180deg=0.588) USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0258) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0045 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -118:sc= -0.473 (180deg=-2.8!) USER MOD Single : A 38 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 39 MET CE :methyl -122:sc=-0.00219 (180deg=-0.2) USER MOD Single : A 46 THR OG1 : rot -77:sc= 0.533 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -59:sc= 0.746 USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= -0.046 (180deg=-0.25) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -133:sc= 0.496 USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= -0.306 (180deg=-0.86!) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 1.81 (180deg=1.58) USER MOD Single : A 74 SER OG : rot 21:sc= 0.468 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.538 -19.244 -7.355 1.00 0.00 N ATOM 2 CA MET A 1 -11.015 -17.864 -7.268 1.00 0.00 C ATOM 3 C MET A 1 -10.822 -17.459 -5.814 1.00 0.00 C ATOM 4 O MET A 1 -11.785 -17.131 -5.120 1.00 0.00 O ATOM 5 CB MET A 1 -11.962 -16.875 -7.959 1.00 0.00 C ATOM 6 CG MET A 1 -12.049 -17.042 -9.472 1.00 0.00 C ATOM 7 SD MET A 1 -12.882 -18.562 -9.981 1.00 0.00 S ATOM 8 CE MET A 1 -14.547 -18.260 -9.385 1.00 0.00 C ATOM 0 H1 MET A 1 -11.993 -19.385 -8.280 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.755 -19.920 -7.247 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.235 -19.399 -6.599 1.00 0.00 H new ATOM 0 HA MET A 1 -10.052 -17.838 -7.777 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.960 -16.989 -7.535 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.634 -15.860 -7.736 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.578 -16.188 -9.894 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.042 -17.031 -9.890 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.263 -18.488 -10.174 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.745 -18.894 -8.521 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.646 -17.213 -9.097 1.00 0.00 H new ATOM 20 N SER A 2 -9.581 -17.500 -5.353 1.00 0.00 N ATOM 21 CA SER A 2 -9.255 -17.096 -3.998 1.00 0.00 C ATOM 22 C SER A 2 -7.839 -16.528 -3.944 1.00 0.00 C ATOM 23 O SER A 2 -6.857 -17.269 -3.874 1.00 0.00 O ATOM 24 CB SER A 2 -9.396 -18.275 -3.029 1.00 0.00 C ATOM 25 OG SER A 2 -9.229 -17.854 -1.684 1.00 0.00 O ATOM 0 H SER A 2 -8.780 -17.811 -5.903 1.00 0.00 H new ATOM 0 HA SER A 2 -9.957 -16.320 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.377 -18.734 -3.150 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.655 -19.038 -3.269 1.00 0.00 H new ATOM 0 HG SER A 2 -9.347 -16.883 -1.628 1.00 0.00 H new ATOM 31 N ILE A 3 -7.746 -15.209 -4.012 1.00 0.00 N ATOM 32 CA ILE A 3 -6.467 -14.516 -3.930 1.00 0.00 C ATOM 33 C ILE A 3 -6.581 -13.310 -3.013 1.00 0.00 C ATOM 34 O ILE A 3 -5.857 -12.334 -3.177 1.00 0.00 O ATOM 35 CB ILE A 3 -5.973 -14.045 -5.320 1.00 0.00 C ATOM 36 CG1 ILE A 3 -7.015 -13.133 -5.981 1.00 0.00 C ATOM 37 CG2 ILE A 3 -5.651 -15.237 -6.212 1.00 0.00 C ATOM 38 CD1 ILE A 3 -6.605 -12.624 -7.347 1.00 0.00 C ATOM 0 H ILE A 3 -8.549 -14.591 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.743 -15.226 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.057 -13.471 -5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.954 -13.678 -6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.204 -12.281 -5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.306 -14.882 -7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.870 -15.839 -5.747 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.546 -15.844 -6.345 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.393 -11.987 -7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.683 -12.050 -7.260 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.444 -13.469 -8.017 1.00 0.00 H new ATOM 50 N GLU A 4 -7.492 -13.397 -2.044 1.00 0.00 N ATOM 51 CA GLU A 4 -7.763 -12.294 -1.120 1.00 0.00 C ATOM 52 C GLU A 4 -6.473 -11.736 -0.523 1.00 0.00 C ATOM 53 O GLU A 4 -5.780 -12.406 0.241 1.00 0.00 O ATOM 54 CB GLU A 4 -8.698 -12.736 0.016 1.00 0.00 C ATOM 55 CG GLU A 4 -10.072 -13.187 -0.442 1.00 0.00 C ATOM 56 CD GLU A 4 -10.142 -14.672 -0.736 1.00 0.00 C ATOM 57 OE1 GLU A 4 -9.607 -15.104 -1.773 1.00 0.00 O ATOM 58 OE2 GLU A 4 -10.744 -15.413 0.069 1.00 0.00 O ATOM 0 H GLU A 4 -8.060 -14.228 -1.877 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.252 -11.510 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.225 -13.552 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.815 -11.909 0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.804 -12.940 0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.350 -12.632 -1.338 1.00 0.00 H new ATOM 65 N VAL A 5 -6.153 -10.506 -0.888 1.00 0.00 N ATOM 66 CA VAL A 5 -4.962 -9.853 -0.379 1.00 0.00 C ATOM 67 C VAL A 5 -5.327 -8.983 0.818 1.00 0.00 C ATOM 68 O VAL A 5 -6.320 -8.253 0.782 1.00 0.00 O ATOM 69 CB VAL A 5 -4.287 -8.977 -1.456 1.00 0.00 C ATOM 70 CG1 VAL A 5 -2.849 -8.668 -1.075 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.349 -9.640 -2.824 1.00 0.00 C ATOM 0 H VAL A 5 -6.702 -9.941 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.258 -10.630 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.837 -8.038 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.393 -8.050 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.831 -8.134 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.290 -9.599 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.866 -8.999 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.836 -10.601 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.390 -9.796 -3.106 1.00 0.00 H new ATOM 81 N ARG A 6 -4.543 -9.078 1.883 1.00 0.00 N ATOM 82 CA ARG A 6 -4.792 -8.294 3.089 1.00 0.00 C ATOM 83 C ARG A 6 -3.503 -7.614 3.534 1.00 0.00 C ATOM 84 O ARG A 6 -2.425 -7.961 3.062 1.00 0.00 O ATOM 85 CB ARG A 6 -5.323 -9.168 4.235 1.00 0.00 C ATOM 86 CG ARG A 6 -6.524 -10.035 3.881 1.00 0.00 C ATOM 87 CD ARG A 6 -6.093 -11.412 3.398 1.00 0.00 C ATOM 88 NE ARG A 6 -7.022 -12.460 3.821 1.00 0.00 N ATOM 89 CZ ARG A 6 -7.041 -13.699 3.329 1.00 0.00 C ATOM 90 NH1 ARG A 6 -6.248 -14.036 2.320 1.00 0.00 N ATOM 91 NH2 ARG A 6 -7.872 -14.590 3.848 1.00 0.00 N ATOM 0 H ARG A 6 -3.729 -9.690 1.938 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.550 -7.548 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.517 -9.815 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.594 -8.521 5.069 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.169 -10.139 4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.113 -9.544 3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.022 -11.408 2.310 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.097 -11.635 3.781 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.703 -12.226 4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.617 -13.345 1.914 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.269 -14.986 1.950 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.489 -14.325 4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.895 -15.541 3.480 1.00 0.00 H new ATOM 105 N ASP A 7 -3.615 -6.649 4.436 1.00 0.00 N ATOM 106 CA ASP A 7 -2.441 -5.953 4.959 1.00 0.00 C ATOM 107 C ASP A 7 -1.781 -6.784 6.059 1.00 0.00 C ATOM 108 O ASP A 7 -2.190 -7.918 6.327 1.00 0.00 O ATOM 109 CB ASP A 7 -2.830 -4.570 5.503 1.00 0.00 C ATOM 110 CG ASP A 7 -3.240 -4.591 6.964 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.311 -5.144 7.280 1.00 0.00 O ATOM 112 OD2 ASP A 7 -2.479 -4.059 7.806 1.00 0.00 O ATOM 0 H ASP A 7 -4.503 -6.329 4.822 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.730 -5.817 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.988 -3.889 5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.652 -4.172 4.908 1.00 0.00 H new ATOM 117 N CYS A 8 -0.764 -6.208 6.688 1.00 0.00 N ATOM 118 CA CYS A 8 -0.045 -6.863 7.774 1.00 0.00 C ATOM 119 C CYS A 8 -0.983 -7.250 8.920 1.00 0.00 C ATOM 120 O CYS A 8 -0.796 -8.282 9.569 1.00 0.00 O ATOM 121 CB CYS A 8 1.055 -5.936 8.290 1.00 0.00 C ATOM 122 SG CYS A 8 0.475 -4.275 8.708 1.00 0.00 S ATOM 0 H CYS A 8 -0.415 -5.277 6.461 1.00 0.00 H new ATOM 0 HA CYS A 8 0.396 -7.780 7.384 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.510 -6.384 9.173 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.836 -5.858 7.533 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.766 -4.144 8.342 1.00 0.00 H new ATOM 128 N ASN A 9 -1.998 -6.426 9.159 1.00 0.00 N ATOM 129 CA ASN A 9 -2.943 -6.666 10.233 1.00 0.00 C ATOM 130 C ASN A 9 -3.967 -7.713 9.828 1.00 0.00 C ATOM 131 O ASN A 9 -4.298 -8.605 10.611 1.00 0.00 O ATOM 132 CB ASN A 9 -3.646 -5.366 10.615 1.00 0.00 C ATOM 133 CG ASN A 9 -2.768 -4.461 11.453 1.00 0.00 C ATOM 134 OD1 ASN A 9 -2.769 -4.546 12.682 1.00 0.00 O ATOM 135 ND2 ASN A 9 -2.019 -3.588 10.801 1.00 0.00 N ATOM 0 H ASN A 9 -2.184 -5.582 8.617 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.392 -7.040 11.096 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.947 -4.839 9.710 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.557 -5.597 11.167 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.412 -2.951 11.317 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.049 -3.551 9.782 1.00 0.00 H new ATOM 142 N GLY A 10 -4.462 -7.606 8.606 1.00 0.00 N ATOM 143 CA GLY A 10 -5.419 -8.574 8.110 1.00 0.00 C ATOM 144 C GLY A 10 -6.636 -7.922 7.489 1.00 0.00 C ATOM 145 O GLY A 10 -7.678 -8.560 7.329 1.00 0.00 O ATOM 0 H GLY A 10 -4.219 -6.866 7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.935 -9.212 7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.735 -9.220 8.929 1.00 0.00 H new ATOM 149 N ALA A 11 -6.510 -6.650 7.140 1.00 0.00 N ATOM 150 CA ALA A 11 -7.585 -5.938 6.477 1.00 0.00 C ATOM 151 C ALA A 11 -7.496 -6.157 4.975 1.00 0.00 C ATOM 152 O ALA A 11 -6.440 -5.969 4.373 1.00 0.00 O ATOM 153 CB ALA A 11 -7.531 -4.454 6.813 1.00 0.00 C ATOM 0 H ALA A 11 -5.672 -6.092 7.306 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.540 -6.326 6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.345 -3.936 6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.631 -4.321 7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.578 -4.041 6.483 1.00 0.00 H new ATOM 159 N LEU A 12 -8.604 -6.571 4.385 1.00 0.00 N ATOM 160 CA LEU A 12 -8.648 -6.887 2.964 1.00 0.00 C ATOM 161 C LEU A 12 -8.414 -5.652 2.099 1.00 0.00 C ATOM 162 O LEU A 12 -8.857 -4.546 2.427 1.00 0.00 O ATOM 163 CB LEU A 12 -9.991 -7.536 2.622 1.00 0.00 C ATOM 164 CG LEU A 12 -10.125 -8.996 3.057 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.590 -9.367 3.236 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.475 -9.909 2.032 1.00 0.00 C ATOM 0 H LEU A 12 -9.492 -6.697 4.870 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.841 -7.587 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.788 -6.957 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.144 -7.477 1.544 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.617 -9.121 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.666 -10.409 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.037 -8.728 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.118 -9.229 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.576 -10.946 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.963 -9.778 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.418 -9.659 1.941 1.00 0.00 H new ATOM 178 N LEU A 13 -7.701 -5.855 1.005 1.00 0.00 N ATOM 179 CA LEU A 13 -7.414 -4.798 0.051 1.00 0.00 C ATOM 180 C LEU A 13 -8.176 -5.053 -1.237 1.00 0.00 C ATOM 181 O LEU A 13 -8.770 -6.116 -1.411 1.00 0.00 O ATOM 182 CB LEU A 13 -5.911 -4.736 -0.234 1.00 0.00 C ATOM 183 CG LEU A 13 -5.039 -4.341 0.957 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.569 -4.546 0.631 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.299 -2.891 1.339 1.00 0.00 C ATOM 0 H LEU A 13 -7.304 -6.760 0.753 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.729 -3.843 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.585 -5.712 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.740 -4.024 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.296 -4.978 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.962 -4.260 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.392 -5.595 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.297 -3.930 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.672 -2.621 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.063 -2.244 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.348 -2.768 1.608 1.00 0.00 H new ATOM 197 N ALA A 14 -8.146 -4.088 -2.138 1.00 0.00 N ATOM 198 CA ALA A 14 -8.834 -4.216 -3.410 1.00 0.00 C ATOM 199 C ALA A 14 -8.163 -3.358 -4.473 1.00 0.00 C ATOM 200 O ALA A 14 -7.177 -2.675 -4.199 1.00 0.00 O ATOM 201 CB ALA A 14 -10.298 -3.834 -3.256 1.00 0.00 C ATOM 0 H ALA A 14 -7.651 -3.205 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.779 -5.256 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.803 -3.934 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.771 -4.492 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.371 -2.802 -2.914 1.00 0.00 H new ATOM 207 N ASP A 15 -8.690 -3.407 -5.687 1.00 0.00 N ATOM 208 CA ASP A 15 -8.162 -2.601 -6.781 1.00 0.00 C ATOM 209 C ASP A 15 -8.597 -1.150 -6.611 1.00 0.00 C ATOM 210 O ASP A 15 -9.780 -0.827 -6.742 1.00 0.00 O ATOM 211 CB ASP A 15 -8.647 -3.152 -8.126 1.00 0.00 C ATOM 212 CG ASP A 15 -8.048 -2.423 -9.314 1.00 0.00 C ATOM 213 OD1 ASP A 15 -8.522 -1.317 -9.640 1.00 0.00 O ATOM 214 OD2 ASP A 15 -7.105 -2.958 -9.932 1.00 0.00 O ATOM 0 H ASP A 15 -9.483 -3.996 -5.941 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.073 -2.646 -6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.395 -4.211 -8.191 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.734 -3.079 -8.172 1.00 0.00 H new ATOM 219 N GLY A 16 -7.641 -0.285 -6.311 1.00 0.00 N ATOM 220 CA GLY A 16 -7.947 1.106 -6.041 1.00 0.00 C ATOM 221 C GLY A 16 -7.931 1.402 -4.554 1.00 0.00 C ATOM 222 O GLY A 16 -8.543 2.366 -4.092 1.00 0.00 O ATOM 0 H GLY A 16 -6.651 -0.523 -6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.222 1.744 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.927 1.350 -6.451 1.00 0.00 H new ATOM 226 N ASP A 17 -7.222 0.569 -3.805 1.00 0.00 N ATOM 227 CA ASP A 17 -7.150 0.701 -2.354 1.00 0.00 C ATOM 228 C ASP A 17 -5.900 1.467 -1.952 1.00 0.00 C ATOM 229 O ASP A 17 -5.096 1.837 -2.804 1.00 0.00 O ATOM 230 CB ASP A 17 -7.151 -0.666 -1.679 1.00 0.00 C ATOM 231 CG ASP A 17 -7.932 -0.654 -0.384 1.00 0.00 C ATOM 232 OD1 ASP A 17 -9.165 -0.834 -0.431 1.00 0.00 O ATOM 233 OD2 ASP A 17 -7.324 -0.463 0.685 1.00 0.00 O ATOM 0 H ASP A 17 -6.684 -0.212 -4.181 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.031 1.252 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.581 -1.405 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.124 -0.974 -1.481 1.00 0.00 H new ATOM 238 N ASN A 18 -5.738 1.723 -0.668 1.00 0.00 N ATOM 239 CA ASN A 18 -4.591 2.481 -0.194 1.00 0.00 C ATOM 240 C ASN A 18 -3.962 1.839 1.032 1.00 0.00 C ATOM 241 O ASN A 18 -4.652 1.334 1.919 1.00 0.00 O ATOM 242 CB ASN A 18 -4.978 3.925 0.116 1.00 0.00 C ATOM 243 CG ASN A 18 -6.203 4.032 0.988 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.116 4.010 2.203 1.00 0.00 O ATOM 245 ND2 ASN A 18 -7.353 4.160 0.364 1.00 0.00 N ATOM 0 H ASN A 18 -6.381 1.420 0.064 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.853 2.478 -0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.143 4.421 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.157 4.456 -0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.217 4.246 0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.381 4.174 -0.656 1.00 0.00 H new ATOM 252 N VAL A 19 -2.642 1.863 1.063 1.00 0.00 N ATOM 253 CA VAL A 19 -1.879 1.314 2.175 1.00 0.00 C ATOM 254 C VAL A 19 -0.759 2.270 2.568 1.00 0.00 C ATOM 255 O VAL A 19 -0.569 3.310 1.940 1.00 0.00 O ATOM 256 CB VAL A 19 -1.271 -0.066 1.838 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.365 -1.102 1.638 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.382 0.020 0.605 1.00 0.00 C ATOM 0 H VAL A 19 -2.067 2.262 0.321 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.573 1.186 3.006 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.654 -0.378 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.914 -2.066 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.954 -1.191 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.013 -0.793 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.035 -0.963 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.972 0.360 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.429 0.725 0.789 1.00 0.00 H new ATOM 268 N SER A 20 -0.034 1.932 3.620 1.00 0.00 N ATOM 269 CA SER A 20 1.092 2.737 4.058 1.00 0.00 C ATOM 270 C SER A 20 2.160 1.870 4.721 1.00 0.00 C ATOM 271 O SER A 20 1.876 0.766 5.185 1.00 0.00 O ATOM 272 CB SER A 20 0.614 3.840 5.005 1.00 0.00 C ATOM 273 OG SER A 20 -0.244 4.748 4.334 1.00 0.00 O ATOM 0 H SER A 20 -0.206 1.103 4.188 1.00 0.00 H new ATOM 0 HA SER A 20 1.544 3.204 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.090 3.396 5.851 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.473 4.376 5.408 1.00 0.00 H new ATOM 0 HG SER A 20 -0.377 4.450 3.410 1.00 0.00 H new ATOM 279 N LEU A 21 3.387 2.378 4.734 1.00 0.00 N ATOM 280 CA LEU A 21 4.537 1.661 5.282 1.00 0.00 C ATOM 281 C LEU A 21 4.459 1.541 6.800 1.00 0.00 C ATOM 282 O LEU A 21 4.300 2.542 7.500 1.00 0.00 O ATOM 283 CB LEU A 21 5.830 2.393 4.902 1.00 0.00 C ATOM 284 CG LEU A 21 6.434 2.040 3.539 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.990 0.631 3.560 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.412 2.187 2.425 1.00 0.00 C ATOM 0 H LEU A 21 3.615 3.301 4.364 1.00 0.00 H new ATOM 0 HA LEU A 21 4.531 0.656 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.635 3.465 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.576 2.190 5.670 1.00 0.00 H new ATOM 0 HG LEU A 21 7.246 2.740 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.416 0.393 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.765 0.557 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.189 -0.073 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.873 1.929 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.570 1.520 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.058 3.217 2.390 1.00 0.00 H new ATOM 298 N ILE A 22 4.586 0.315 7.303 1.00 0.00 N ATOM 299 CA ILE A 22 4.620 0.076 8.747 1.00 0.00 C ATOM 300 C ILE A 22 6.058 0.077 9.251 1.00 0.00 C ATOM 301 O ILE A 22 6.312 0.046 10.454 1.00 0.00 O ATOM 302 CB ILE A 22 3.970 -1.271 9.137 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.795 -2.439 8.591 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.543 -1.339 8.625 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.337 -3.801 9.070 1.00 0.00 C ATOM 0 H ILE A 22 4.667 -0.528 6.735 1.00 0.00 H new ATOM 0 HA ILE A 22 4.050 0.883 9.207 1.00 0.00 H new ATOM 0 HB ILE A 22 3.948 -1.344 10.224 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.757 -2.418 7.502 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.837 -2.298 8.877 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.100 -2.294 8.908 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.961 -0.526 9.060 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.541 -1.246 7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.974 -4.572 8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.402 -3.845 10.157 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.305 -3.967 8.761 1.00 0.00 H new ATOM 317 N LYS A 23 6.997 0.094 8.315 1.00 0.00 N ATOM 318 CA LYS A 23 8.412 0.063 8.639 1.00 0.00 C ATOM 319 C LYS A 23 9.176 0.942 7.671 1.00 0.00 C ATOM 320 O LYS A 23 8.590 1.534 6.767 1.00 0.00 O ATOM 321 CB LYS A 23 8.977 -1.356 8.529 1.00 0.00 C ATOM 322 CG LYS A 23 8.200 -2.418 9.276 1.00 0.00 C ATOM 323 CD LYS A 23 8.898 -3.762 9.175 1.00 0.00 C ATOM 324 CE LYS A 23 10.282 -3.721 9.811 1.00 0.00 C ATOM 325 NZ LYS A 23 10.233 -3.267 11.229 1.00 0.00 N ATOM 0 H LYS A 23 6.798 0.130 7.315 1.00 0.00 H new ATOM 0 HA LYS A 23 8.523 0.419 9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.019 -1.633 7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.002 -1.351 8.898 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.099 -2.133 10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.192 -2.494 8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.293 -4.525 9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.986 -4.050 8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.732 -4.713 9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.924 -3.052 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.146 -3.460 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.040 -2.246 11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.479 -3.778 11.731 1.00 0.00 H new ATOM 339 N ASP A 24 10.481 0.998 7.853 1.00 0.00 N ATOM 340 CA ASP A 24 11.353 1.676 6.905 1.00 0.00 C ATOM 341 C ASP A 24 11.968 0.646 5.971 1.00 0.00 C ATOM 342 O ASP A 24 12.978 0.019 6.303 1.00 0.00 O ATOM 343 CB ASP A 24 12.480 2.441 7.605 1.00 0.00 C ATOM 344 CG ASP A 24 12.022 3.243 8.802 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.128 4.091 8.656 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.579 3.045 9.899 1.00 0.00 O ATOM 0 H ASP A 24 10.964 0.582 8.649 1.00 0.00 H new ATOM 0 HA ASP A 24 10.748 2.395 6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.243 1.732 7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.950 3.113 6.887 1.00 0.00 H new ATOM 351 N LEU A 25 11.349 0.452 4.822 1.00 0.00 N ATOM 352 CA LEU A 25 11.826 -0.522 3.851 1.00 0.00 C ATOM 353 C LEU A 25 12.687 0.174 2.807 1.00 0.00 C ATOM 354 O LEU A 25 12.188 0.930 1.979 1.00 0.00 O ATOM 355 CB LEU A 25 10.656 -1.246 3.166 1.00 0.00 C ATOM 356 CG LEU A 25 9.885 -2.273 4.016 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.799 -3.375 4.519 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.175 -1.616 5.184 1.00 0.00 C ATOM 0 H LEU A 25 10.511 0.957 4.535 1.00 0.00 H new ATOM 0 HA LEU A 25 12.421 -1.267 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.949 -0.494 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.041 -1.756 2.283 1.00 0.00 H new ATOM 0 HG LEU A 25 9.132 -2.716 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.222 -4.082 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.244 -3.894 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.588 -2.941 5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.643 -2.374 5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.907 -1.123 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.464 -0.879 4.810 1.00 0.00 H new ATOM 370 N LYS A 26 13.980 -0.070 2.859 1.00 0.00 N ATOM 371 CA LYS A 26 14.901 0.573 1.939 1.00 0.00 C ATOM 372 C LYS A 26 15.054 -0.286 0.689 1.00 0.00 C ATOM 373 O LYS A 26 15.318 -1.488 0.778 1.00 0.00 O ATOM 374 CB LYS A 26 16.251 0.804 2.624 1.00 0.00 C ATOM 375 CG LYS A 26 17.012 2.018 2.113 1.00 0.00 C ATOM 376 CD LYS A 26 17.716 1.759 0.794 1.00 0.00 C ATOM 377 CE LYS A 26 18.840 0.757 0.964 1.00 0.00 C ATOM 378 NZ LYS A 26 19.624 0.587 -0.285 1.00 0.00 N ATOM 0 H LYS A 26 14.418 -0.706 3.525 1.00 0.00 H new ATOM 0 HA LYS A 26 14.506 1.545 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.087 0.917 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.871 -0.082 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.319 2.851 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.747 2.320 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.999 1.386 0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.115 2.694 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.501 1.086 1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.426 -0.205 1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.645 -0.419 -0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.182 1.135 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.596 0.925 -0.134 1.00 0.00 H new ATOM 392 N LEU A 27 14.873 0.336 -0.468 1.00 0.00 N ATOM 393 CA LEU A 27 14.889 -0.373 -1.739 1.00 0.00 C ATOM 394 C LEU A 27 16.260 -0.985 -1.994 1.00 0.00 C ATOM 395 O LEU A 27 17.293 -0.353 -1.774 1.00 0.00 O ATOM 396 CB LEU A 27 14.489 0.584 -2.868 1.00 0.00 C ATOM 397 CG LEU A 27 14.054 -0.059 -4.196 1.00 0.00 C ATOM 398 CD1 LEU A 27 13.211 0.921 -4.996 1.00 0.00 C ATOM 399 CD2 LEU A 27 15.255 -0.489 -5.024 1.00 0.00 C ATOM 0 H LEU A 27 14.712 1.340 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 27 14.167 -1.189 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.672 1.211 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.333 1.244 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 27 13.465 -0.946 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.907 0.458 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.325 1.192 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.795 1.817 -5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.912 -0.939 -5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 27 15.873 0.381 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.842 -1.217 -4.463 1.00 0.00 H new ATOM 411 N LYS A 28 16.252 -2.220 -2.457 1.00 0.00 N ATOM 412 CA LYS A 28 17.487 -2.951 -2.702 1.00 0.00 C ATOM 413 C LYS A 28 18.069 -2.589 -4.063 1.00 0.00 C ATOM 414 O LYS A 28 17.469 -2.853 -5.107 1.00 0.00 O ATOM 415 CB LYS A 28 17.258 -4.466 -2.583 1.00 0.00 C ATOM 416 CG LYS A 28 16.162 -5.019 -3.484 1.00 0.00 C ATOM 417 CD LYS A 28 15.927 -6.497 -3.210 1.00 0.00 C ATOM 418 CE LYS A 28 14.855 -7.083 -4.115 1.00 0.00 C ATOM 419 NZ LYS A 28 15.307 -7.185 -5.525 1.00 0.00 N ATOM 0 H LYS A 28 15.403 -2.742 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 28 18.211 -2.661 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.192 -4.980 -2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.011 -4.702 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.238 -4.464 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.439 -4.878 -4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.859 -7.044 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.634 -6.630 -2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.576 -8.072 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.961 -6.462 -4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.571 -7.651 -6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.484 -6.232 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.184 -7.743 -5.569 1.00 0.00 H new ATOM 433 N GLY A 29 19.228 -1.954 -4.039 1.00 0.00 N ATOM 434 CA GLY A 29 19.880 -1.549 -5.268 1.00 0.00 C ATOM 435 C GLY A 29 19.641 -0.088 -5.586 1.00 0.00 C ATOM 436 O GLY A 29 19.990 0.385 -6.667 1.00 0.00 O ATOM 0 H GLY A 29 19.733 -1.710 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.952 -1.731 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 29 19.514 -2.163 -6.091 1.00 0.00 H new ATOM 440 N SER A 30 19.021 0.621 -4.654 1.00 0.00 N ATOM 441 CA SER A 30 18.790 2.051 -4.795 1.00 0.00 C ATOM 442 C SER A 30 18.759 2.714 -3.422 1.00 0.00 C ATOM 443 O SER A 30 18.446 2.070 -2.422 1.00 0.00 O ATOM 444 CB SER A 30 17.482 2.317 -5.547 1.00 0.00 C ATOM 445 OG SER A 30 17.529 1.765 -6.853 1.00 0.00 O ATOM 0 H SER A 30 18.666 0.224 -3.784 1.00 0.00 H new ATOM 0 HA SER A 30 19.608 2.479 -5.374 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.646 1.886 -4.995 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.304 3.391 -5.608 1.00 0.00 H new ATOM 0 HG SER A 30 16.684 1.945 -7.315 1.00 0.00 H new ATOM 451 N SER A 31 19.077 3.997 -3.380 1.00 0.00 N ATOM 452 CA SER A 31 19.146 4.736 -2.125 1.00 0.00 C ATOM 453 C SER A 31 17.770 5.235 -1.675 1.00 0.00 C ATOM 454 O SER A 31 17.670 6.113 -0.816 1.00 0.00 O ATOM 455 CB SER A 31 20.120 5.905 -2.283 1.00 0.00 C ATOM 456 OG SER A 31 19.970 6.524 -3.551 1.00 0.00 O ATOM 0 H SER A 31 19.294 4.554 -4.206 1.00 0.00 H new ATOM 0 HA SER A 31 19.504 4.060 -1.348 1.00 0.00 H new ATOM 0 HB2 SER A 31 19.946 6.637 -1.494 1.00 0.00 H new ATOM 0 HB3 SER A 31 21.144 5.548 -2.167 1.00 0.00 H new ATOM 0 HG SER A 31 20.602 7.269 -3.628 1.00 0.00 H new ATOM 462 N THR A 32 16.714 4.668 -2.245 1.00 0.00 N ATOM 463 CA THR A 32 15.364 5.045 -1.874 1.00 0.00 C ATOM 464 C THR A 32 14.952 4.339 -0.590 1.00 0.00 C ATOM 465 O THR A 32 14.670 3.139 -0.586 1.00 0.00 O ATOM 466 CB THR A 32 14.366 4.707 -2.998 1.00 0.00 C ATOM 467 OG1 THR A 32 14.803 5.310 -4.221 1.00 0.00 O ATOM 468 CG2 THR A 32 12.967 5.203 -2.659 1.00 0.00 C ATOM 0 H THR A 32 16.770 3.947 -2.964 1.00 0.00 H new ATOM 0 HA THR A 32 15.350 6.123 -1.712 1.00 0.00 H new ATOM 0 HB THR A 32 14.328 3.623 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.170 5.094 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.285 4.950 -3.471 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.626 4.730 -1.738 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.987 6.285 -2.525 1.00 0.00 H new ATOM 476 N VAL A 33 14.945 5.081 0.504 1.00 0.00 N ATOM 477 CA VAL A 33 14.527 4.535 1.780 1.00 0.00 C ATOM 478 C VAL A 33 13.051 4.830 1.989 1.00 0.00 C ATOM 479 O VAL A 33 12.674 5.971 2.266 1.00 0.00 O ATOM 480 CB VAL A 33 15.321 5.136 2.958 1.00 0.00 C ATOM 481 CG1 VAL A 33 15.120 4.294 4.210 1.00 0.00 C ATOM 482 CG2 VAL A 33 16.801 5.266 2.616 1.00 0.00 C ATOM 0 H VAL A 33 15.224 6.062 0.533 1.00 0.00 H new ATOM 0 HA VAL A 33 14.715 3.462 1.757 1.00 0.00 H new ATOM 0 HB VAL A 33 14.942 6.139 3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.685 4.728 5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.061 4.272 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.470 3.278 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 33 17.335 5.692 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.210 4.282 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.918 5.917 1.750 1.00 0.00 H new ATOM 492 N LEU A 34 12.213 3.826 1.817 1.00 0.00 N ATOM 493 CA LEU A 34 10.790 3.997 2.030 1.00 0.00 C ATOM 494 C LEU A 34 10.488 3.920 3.516 1.00 0.00 C ATOM 495 O LEU A 34 10.257 2.847 4.071 1.00 0.00 O ATOM 496 CB LEU A 34 10.006 2.958 1.233 1.00 0.00 C ATOM 497 CG LEU A 34 10.080 3.150 -0.278 1.00 0.00 C ATOM 498 CD1 LEU A 34 9.994 1.815 -1.006 1.00 0.00 C ATOM 499 CD2 LEU A 34 8.976 4.089 -0.741 1.00 0.00 C ATOM 0 H LEU A 34 12.492 2.887 1.532 1.00 0.00 H new ATOM 0 HA LEU A 34 10.479 4.978 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.381 1.965 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.961 2.990 1.542 1.00 0.00 H new ATOM 0 HG LEU A 34 11.044 3.597 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.049 1.983 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.821 1.177 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.050 1.328 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.038 4.219 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.006 3.666 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.092 5.056 -0.252 1.00 0.00 H new ATOM 511 N LYS A 35 10.521 5.083 4.147 1.00 0.00 N ATOM 512 CA LYS A 35 10.412 5.198 5.591 1.00 0.00 C ATOM 513 C LYS A 35 9.009 4.888 6.087 1.00 0.00 C ATOM 514 O LYS A 35 8.038 4.923 5.331 1.00 0.00 O ATOM 515 CB LYS A 35 10.814 6.608 6.024 1.00 0.00 C ATOM 516 CG LYS A 35 12.315 6.856 5.998 1.00 0.00 C ATOM 517 CD LYS A 35 13.010 6.182 7.170 1.00 0.00 C ATOM 518 CE LYS A 35 12.509 6.730 8.499 1.00 0.00 C ATOM 519 NZ LYS A 35 13.062 5.985 9.660 1.00 0.00 N ATOM 0 H LYS A 35 10.625 5.978 3.669 1.00 0.00 H new ATOM 0 HA LYS A 35 11.085 4.463 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.325 7.331 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.443 6.787 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.731 6.482 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.508 7.928 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.837 5.107 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.087 6.334 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.782 7.782 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.420 6.680 8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.285 5.540 10.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.716 5.250 9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.573 6.643 10.283 1.00 0.00 H new ATOM 533 N ARG A 36 8.925 4.587 7.368 1.00 0.00 N ATOM 534 CA ARG A 36 7.665 4.324 8.028 1.00 0.00 C ATOM 535 C ARG A 36 6.725 5.513 7.870 1.00 0.00 C ATOM 536 O ARG A 36 7.132 6.665 8.043 1.00 0.00 O ATOM 537 CB ARG A 36 7.919 4.041 9.506 1.00 0.00 C ATOM 538 CG ARG A 36 6.710 3.499 10.242 1.00 0.00 C ATOM 539 CD ARG A 36 7.100 2.957 11.601 1.00 0.00 C ATOM 540 NE ARG A 36 5.953 2.398 12.316 1.00 0.00 N ATOM 541 CZ ARG A 36 5.970 2.041 13.597 1.00 0.00 C ATOM 542 NH1 ARG A 36 7.057 2.233 14.333 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.886 1.506 14.144 1.00 0.00 N ATOM 0 H ARG A 36 9.736 4.518 7.983 1.00 0.00 H new ATOM 0 HA ARG A 36 7.194 3.454 7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.737 3.326 9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.246 4.961 9.991 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.968 4.289 10.361 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.244 2.710 9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.862 2.187 11.480 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.545 3.755 12.196 1.00 0.00 H new ATOM 0 HE ARG A 36 5.083 2.274 11.798 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.886 2.657 13.917 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.063 1.957 15.315 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.045 1.370 13.582 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.893 1.230 15.126 1.00 0.00 H new ATOM 557 N GLY A 37 5.480 5.235 7.522 1.00 0.00 N ATOM 558 CA GLY A 37 4.519 6.299 7.324 1.00 0.00 C ATOM 559 C GLY A 37 4.326 6.656 5.862 1.00 0.00 C ATOM 560 O GLY A 37 3.427 7.429 5.528 1.00 0.00 O ATOM 0 H GLY A 37 5.117 4.293 7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.561 6.000 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.847 7.184 7.869 1.00 0.00 H new ATOM 564 N THR A 38 5.172 6.108 4.989 1.00 0.00 N ATOM 565 CA THR A 38 5.043 6.341 3.553 1.00 0.00 C ATOM 566 C THR A 38 3.693 5.837 3.057 1.00 0.00 C ATOM 567 O THR A 38 3.381 4.652 3.185 1.00 0.00 O ATOM 568 CB THR A 38 6.168 5.643 2.756 1.00 0.00 C ATOM 569 OG1 THR A 38 7.443 6.151 3.162 1.00 0.00 O ATOM 570 CG2 THR A 38 6.001 5.853 1.255 1.00 0.00 C ATOM 0 H THR A 38 5.950 5.503 5.251 1.00 0.00 H new ATOM 0 HA THR A 38 5.122 7.416 3.391 1.00 0.00 H new ATOM 0 HB THR A 38 6.108 4.575 2.965 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.871 5.513 3.770 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.809 5.349 0.725 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.044 5.441 0.934 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.030 6.919 1.031 1.00 0.00 H new ATOM 578 N MET A 39 2.893 6.734 2.506 1.00 0.00 N ATOM 579 CA MET A 39 1.581 6.369 2.012 1.00 0.00 C ATOM 580 C MET A 39 1.648 5.906 0.568 1.00 0.00 C ATOM 581 O MET A 39 2.111 6.627 -0.317 1.00 0.00 O ATOM 582 CB MET A 39 0.589 7.528 2.149 1.00 0.00 C ATOM 583 CG MET A 39 -0.636 7.379 1.257 1.00 0.00 C ATOM 584 SD MET A 39 -2.045 8.349 1.816 1.00 0.00 S ATOM 585 CE MET A 39 -2.569 7.363 3.214 1.00 0.00 C ATOM 0 H MET A 39 3.131 7.719 2.391 1.00 0.00 H new ATOM 0 HA MET A 39 1.225 5.541 2.625 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.267 7.601 3.188 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.096 8.462 1.906 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.377 7.679 0.242 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.921 6.328 1.215 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.604 7.053 3.073 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.934 6.481 3.296 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.488 7.954 4.127 1.00 0.00 H new ATOM 595 N ILE A 40 1.191 4.692 0.351 1.00 0.00 N ATOM 596 CA ILE A 40 1.049 4.153 -0.988 1.00 0.00 C ATOM 597 C ILE A 40 -0.430 3.959 -1.287 1.00 0.00 C ATOM 598 O ILE A 40 -1.012 2.928 -0.955 1.00 0.00 O ATOM 599 CB ILE A 40 1.790 2.807 -1.154 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.263 2.951 -0.757 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.677 2.311 -2.590 1.00 0.00 C ATOM 602 CD1 ILE A 40 4.056 1.667 -0.888 1.00 0.00 C ATOM 0 H ILE A 40 0.908 4.052 1.093 1.00 0.00 H new ATOM 0 HA ILE A 40 1.495 4.861 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 40 1.323 2.075 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.725 3.718 -1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.320 3.300 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.204 1.362 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.627 2.171 -2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.119 3.044 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.089 1.845 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.620 0.903 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.031 1.328 -1.924 1.00 0.00 H new ATOM 614 N ARG A 41 -1.053 4.965 -1.873 1.00 0.00 N ATOM 615 CA ARG A 41 -2.478 4.896 -2.137 1.00 0.00 C ATOM 616 C ARG A 41 -2.743 4.795 -3.631 1.00 0.00 C ATOM 617 O ARG A 41 -2.135 5.499 -4.437 1.00 0.00 O ATOM 618 CB ARG A 41 -3.218 6.081 -1.494 1.00 0.00 C ATOM 619 CG ARG A 41 -2.774 7.458 -1.956 1.00 0.00 C ATOM 620 CD ARG A 41 -3.734 8.025 -2.986 1.00 0.00 C ATOM 621 NE ARG A 41 -5.109 8.044 -2.483 1.00 0.00 N ATOM 622 CZ ARG A 41 -6.168 8.395 -3.206 1.00 0.00 C ATOM 623 NH1 ARG A 41 -6.017 8.815 -4.456 1.00 0.00 N ATOM 624 NH2 ARG A 41 -7.382 8.323 -2.675 1.00 0.00 N ATOM 0 H ARG A 41 -0.601 5.829 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.872 3.990 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.284 5.975 -1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.092 6.022 -0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.715 8.131 -1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.773 7.397 -2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.428 9.037 -3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.687 7.428 -3.897 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.265 7.770 -1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.085 8.870 -4.867 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.833 9.083 -5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.500 7.999 -1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.197 8.592 -3.227 1.00 0.00 H new ATOM 638 N GLY A 42 -3.651 3.904 -3.985 1.00 0.00 N ATOM 639 CA GLY A 42 -3.871 3.576 -5.373 1.00 0.00 C ATOM 640 C GLY A 42 -3.246 2.240 -5.713 1.00 0.00 C ATOM 641 O GLY A 42 -2.588 2.090 -6.742 1.00 0.00 O ATOM 0 H GLY A 42 -4.245 3.398 -3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.941 3.546 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.446 4.354 -6.007 1.00 0.00 H new ATOM 645 N ILE A 43 -3.438 1.274 -4.827 1.00 0.00 N ATOM 646 CA ILE A 43 -2.878 -0.050 -5.006 1.00 0.00 C ATOM 647 C ILE A 43 -3.930 -0.980 -5.575 1.00 0.00 C ATOM 648 O ILE A 43 -5.127 -0.723 -5.453 1.00 0.00 O ATOM 649 CB ILE A 43 -2.324 -0.627 -3.672 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.442 -1.009 -2.689 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.399 0.381 -3.020 1.00 0.00 C ATOM 652 CD1 ILE A 43 -3.899 -2.451 -2.797 1.00 0.00 C ATOM 0 H ILE A 43 -3.982 1.388 -3.972 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.044 0.032 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.777 -1.537 -3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.095 -0.825 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.298 -0.355 -2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.014 -0.029 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.568 0.599 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.949 1.299 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.689 -2.638 -2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.279 -2.638 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.058 -3.115 -2.598 1.00 0.00 H new ATOM 664 N ARG A 44 -3.491 -2.050 -6.198 1.00 0.00 N ATOM 665 CA ARG A 44 -4.402 -3.036 -6.736 1.00 0.00 C ATOM 666 C ARG A 44 -3.944 -4.442 -6.406 1.00 0.00 C ATOM 667 O ARG A 44 -2.760 -4.680 -6.155 1.00 0.00 O ATOM 668 CB ARG A 44 -4.550 -2.878 -8.243 1.00 0.00 C ATOM 669 CG ARG A 44 -3.239 -2.711 -8.980 1.00 0.00 C ATOM 670 CD ARG A 44 -3.363 -3.193 -10.412 1.00 0.00 C ATOM 671 NE ARG A 44 -4.643 -2.816 -11.013 1.00 0.00 N ATOM 672 CZ ARG A 44 -4.839 -2.626 -12.314 1.00 0.00 C ATOM 673 NH1 ARG A 44 -3.833 -2.743 -13.175 1.00 0.00 N ATOM 674 NH2 ARG A 44 -6.056 -2.328 -12.751 1.00 0.00 N ATOM 0 H ARG A 44 -2.504 -2.261 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.374 -2.870 -6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.068 -3.751 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.181 -2.013 -8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.941 -1.663 -8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.455 -3.271 -8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.549 -2.777 -11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.256 -4.277 -10.439 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.441 -2.690 -10.390 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.900 -2.981 -12.839 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.995 -2.595 -14.171 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.829 -2.247 -12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.218 -2.180 -13.747 1.00 0.00 H new ATOM 688 N LEU A 45 -4.893 -5.365 -6.400 1.00 0.00 N ATOM 689 CA LEU A 45 -4.594 -6.765 -6.168 1.00 0.00 C ATOM 690 C LEU A 45 -3.975 -7.357 -7.422 1.00 0.00 C ATOM 691 O LEU A 45 -4.280 -6.921 -8.534 1.00 0.00 O ATOM 692 CB LEU A 45 -5.867 -7.537 -5.806 1.00 0.00 C ATOM 693 CG LEU A 45 -6.740 -6.901 -4.722 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.910 -7.806 -4.379 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.928 -6.586 -3.478 1.00 0.00 C ATOM 0 H LEU A 45 -5.881 -5.166 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.895 -6.845 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.468 -7.655 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.583 -8.537 -5.478 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.131 -5.962 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.519 -7.336 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.517 -7.970 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.535 -8.762 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.575 -6.135 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.497 -7.506 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.128 -5.891 -3.732 1.00 0.00 H new ATOM 707 N THR A 46 -3.106 -8.331 -7.243 1.00 0.00 N ATOM 708 CA THR A 46 -2.465 -8.982 -8.367 1.00 0.00 C ATOM 709 C THR A 46 -2.826 -10.461 -8.371 1.00 0.00 C ATOM 710 O THR A 46 -3.723 -10.885 -7.644 1.00 0.00 O ATOM 711 CB THR A 46 -0.930 -8.827 -8.309 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.411 -9.426 -7.113 1.00 0.00 O ATOM 713 CG2 THR A 46 -0.528 -7.359 -8.359 1.00 0.00 C ATOM 0 H THR A 46 -2.827 -8.689 -6.329 1.00 0.00 H new ATOM 0 HA THR A 46 -2.820 -8.507 -9.281 1.00 0.00 H new ATOM 0 HB THR A 46 -0.511 -9.335 -9.178 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.585 -8.836 -6.350 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.558 -7.278 -8.317 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.889 -6.914 -9.286 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.965 -6.833 -7.510 1.00 0.00 H new ATOM 721 N ASP A 47 -2.130 -11.244 -9.184 1.00 0.00 N ATOM 722 CA ASP A 47 -2.296 -12.691 -9.163 1.00 0.00 C ATOM 723 C ASP A 47 -1.604 -13.279 -7.939 1.00 0.00 C ATOM 724 O ASP A 47 -1.654 -14.486 -7.699 1.00 0.00 O ATOM 725 CB ASP A 47 -1.750 -13.327 -10.445 1.00 0.00 C ATOM 726 CG ASP A 47 -2.654 -13.093 -11.639 1.00 0.00 C ATOM 727 OD1 ASP A 47 -2.492 -12.061 -12.319 1.00 0.00 O ATOM 728 OD2 ASP A 47 -3.536 -13.944 -11.899 1.00 0.00 O ATOM 0 H ASP A 47 -1.449 -10.904 -9.863 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.362 -12.913 -9.107 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.761 -12.920 -10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.627 -14.399 -10.291 1.00 0.00 H new ATOM 733 N SER A 48 -0.939 -12.418 -7.183 1.00 0.00 N ATOM 734 CA SER A 48 -0.349 -12.793 -5.924 1.00 0.00 C ATOM 735 C SER A 48 -1.245 -12.338 -4.777 1.00 0.00 C ATOM 736 O SER A 48 -1.782 -11.233 -4.801 1.00 0.00 O ATOM 737 CB SER A 48 1.023 -12.150 -5.798 1.00 0.00 C ATOM 738 OG SER A 48 1.867 -12.534 -6.874 1.00 0.00 O ATOM 0 H SER A 48 -0.798 -11.439 -7.433 1.00 0.00 H new ATOM 0 HA SER A 48 -0.244 -13.877 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.920 -11.065 -5.782 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.479 -12.441 -4.852 1.00 0.00 H new ATOM 0 HG SER A 48 2.743 -12.107 -6.771 1.00 0.00 H new ATOM 744 N GLU A 49 -1.399 -13.192 -3.783 1.00 0.00 N ATOM 745 CA GLU A 49 -2.253 -12.893 -2.640 1.00 0.00 C ATOM 746 C GLU A 49 -1.436 -12.254 -1.526 1.00 0.00 C ATOM 747 O GLU A 49 -1.983 -11.689 -0.579 1.00 0.00 O ATOM 748 CB GLU A 49 -2.928 -14.163 -2.108 1.00 0.00 C ATOM 749 CG GLU A 49 -3.012 -15.305 -3.114 1.00 0.00 C ATOM 750 CD GLU A 49 -1.733 -16.118 -3.186 1.00 0.00 C ATOM 751 OE1 GLU A 49 -1.598 -17.084 -2.408 1.00 0.00 O ATOM 752 OE2 GLU A 49 -0.853 -15.789 -4.010 1.00 0.00 O ATOM 0 H GLU A 49 -0.943 -14.104 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.025 -12.199 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.382 -14.509 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.936 -13.912 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.840 -15.961 -2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.235 -14.899 -4.101 1.00 0.00 H new ATOM 759 N ASP A 50 -0.121 -12.366 -1.639 1.00 0.00 N ATOM 760 CA ASP A 50 0.782 -11.805 -0.641 1.00 0.00 C ATOM 761 C ASP A 50 1.461 -10.553 -1.197 1.00 0.00 C ATOM 762 O ASP A 50 2.173 -9.842 -0.487 1.00 0.00 O ATOM 763 CB ASP A 50 1.827 -12.849 -0.226 1.00 0.00 C ATOM 764 CG ASP A 50 2.569 -12.477 1.046 1.00 0.00 C ATOM 765 OD1 ASP A 50 1.948 -12.518 2.131 1.00 0.00 O ATOM 766 OD2 ASP A 50 3.778 -12.166 0.972 1.00 0.00 O ATOM 0 H ASP A 50 0.346 -12.840 -2.412 1.00 0.00 H new ATOM 0 HA ASP A 50 0.208 -11.525 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.334 -13.811 -0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.546 -12.976 -1.035 1.00 0.00 H new ATOM 771 N GLU A 51 1.206 -10.274 -2.472 1.00 0.00 N ATOM 772 CA GLU A 51 1.787 -9.112 -3.131 1.00 0.00 C ATOM 773 C GLU A 51 0.708 -8.248 -3.763 1.00 0.00 C ATOM 774 O GLU A 51 -0.311 -8.745 -4.243 1.00 0.00 O ATOM 775 CB GLU A 51 2.782 -9.512 -4.224 1.00 0.00 C ATOM 776 CG GLU A 51 4.068 -10.135 -3.713 1.00 0.00 C ATOM 777 CD GLU A 51 4.043 -11.648 -3.751 1.00 0.00 C ATOM 778 OE1 GLU A 51 3.617 -12.268 -2.761 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.458 -12.228 -4.776 1.00 0.00 O ATOM 0 H GLU A 51 0.600 -10.838 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 51 2.311 -8.552 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.296 -10.217 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.031 -8.628 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.904 -9.775 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.244 -9.805 -2.689 1.00 0.00 H new ATOM 786 N ILE A 52 0.952 -6.955 -3.762 1.00 0.00 N ATOM 787 CA ILE A 52 0.098 -6.002 -4.449 1.00 0.00 C ATOM 788 C ILE A 52 0.950 -5.074 -5.292 1.00 0.00 C ATOM 789 O ILE A 52 2.171 -5.105 -5.213 1.00 0.00 O ATOM 790 CB ILE A 52 -0.735 -5.135 -3.482 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.169 -4.471 -2.443 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.815 -5.965 -2.810 1.00 0.00 C ATOM 793 CD1 ILE A 52 -0.420 -3.209 -1.864 1.00 0.00 C ATOM 0 H ILE A 52 1.748 -6.532 -3.285 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.589 -6.586 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.224 -4.350 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.364 -5.177 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.130 -4.239 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.390 -5.334 -2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.478 -6.382 -3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.353 -6.776 -2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.270 -2.787 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.589 -2.487 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.367 -3.440 -1.377 1.00 0.00 H new ATOM 805 N GLU A 53 0.308 -4.256 -6.092 1.00 0.00 N ATOM 806 CA GLU A 53 1.004 -3.250 -6.863 1.00 0.00 C ATOM 807 C GLU A 53 0.383 -1.895 -6.584 1.00 0.00 C ATOM 808 O GLU A 53 -0.833 -1.745 -6.651 1.00 0.00 O ATOM 809 CB GLU A 53 0.900 -3.577 -8.340 1.00 0.00 C ATOM 810 CG GLU A 53 1.656 -2.613 -9.243 1.00 0.00 C ATOM 811 CD GLU A 53 1.398 -2.858 -10.716 1.00 0.00 C ATOM 812 OE1 GLU A 53 0.366 -2.377 -11.228 1.00 0.00 O ATOM 813 OE2 GLU A 53 2.228 -3.527 -11.368 1.00 0.00 O ATOM 0 H GLU A 53 -0.703 -4.267 -6.227 1.00 0.00 H new ATOM 0 HA GLU A 53 2.057 -3.230 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.278 -4.586 -8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.151 -3.579 -8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.370 -1.591 -8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.725 -2.702 -9.047 1.00 0.00 H new ATOM 820 N GLY A 54 1.204 -0.916 -6.262 1.00 0.00 N ATOM 821 CA GLY A 54 0.677 0.380 -5.910 1.00 0.00 C ATOM 822 C GLY A 54 1.457 1.511 -6.530 1.00 0.00 C ATOM 823 O GLY A 54 2.274 1.296 -7.422 1.00 0.00 O ATOM 0 H GLY A 54 2.221 -0.993 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.363 0.444 -6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.686 0.489 -4.826 1.00 0.00 H new ATOM 827 N ARG A 55 1.209 2.718 -6.052 1.00 0.00 N ATOM 828 CA ARG A 55 1.871 3.903 -6.564 1.00 0.00 C ATOM 829 C ARG A 55 2.044 4.931 -5.458 1.00 0.00 C ATOM 830 O ARG A 55 1.200 5.058 -4.569 1.00 0.00 O ATOM 831 CB ARG A 55 1.076 4.490 -7.728 1.00 0.00 C ATOM 832 CG ARG A 55 -0.393 4.706 -7.424 1.00 0.00 C ATOM 833 CD ARG A 55 -1.159 5.030 -8.694 1.00 0.00 C ATOM 834 NE ARG A 55 -2.592 4.770 -8.573 1.00 0.00 N ATOM 835 CZ ARG A 55 -3.274 4.022 -9.443 1.00 0.00 C ATOM 836 NH1 ARG A 55 -2.632 3.413 -10.432 1.00 0.00 N ATOM 837 NH2 ARG A 55 -4.584 3.863 -9.312 1.00 0.00 N ATOM 0 H ARG A 55 0.545 2.903 -5.300 1.00 0.00 H new ATOM 0 HA ARG A 55 2.860 3.624 -6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.521 5.443 -8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.165 3.825 -8.587 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.809 3.812 -6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.506 5.519 -6.707 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.005 6.079 -8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.756 4.440 -9.517 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.095 5.180 -7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.622 3.518 -10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.149 2.840 -11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.078 4.314 -8.542 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.098 3.290 -9.981 1.00 0.00 H new ATOM 851 N THR A 56 3.151 5.640 -5.512 1.00 0.00 N ATOM 852 CA THR A 56 3.472 6.652 -4.524 1.00 0.00 C ATOM 853 C THR A 56 3.517 8.021 -5.188 1.00 0.00 C ATOM 854 O THR A 56 3.150 8.164 -6.357 1.00 0.00 O ATOM 855 CB THR A 56 4.840 6.380 -3.856 1.00 0.00 C ATOM 856 OG1 THR A 56 5.890 6.511 -4.818 1.00 0.00 O ATOM 857 CG2 THR A 56 4.898 4.985 -3.257 1.00 0.00 C ATOM 0 H THR A 56 3.855 5.532 -6.242 1.00 0.00 H new ATOM 0 HA THR A 56 2.697 6.623 -3.758 1.00 0.00 H new ATOM 0 HB THR A 56 4.966 7.111 -3.058 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.743 5.878 -5.551 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.873 4.827 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.118 4.880 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.744 4.245 -4.042 1.00 0.00 H new ATOM 865 N ASP A 57 3.973 9.016 -4.440 1.00 0.00 N ATOM 866 CA ASP A 57 4.171 10.362 -4.965 1.00 0.00 C ATOM 867 C ASP A 57 5.218 10.348 -6.076 1.00 0.00 C ATOM 868 O ASP A 57 5.225 11.208 -6.958 1.00 0.00 O ATOM 869 CB ASP A 57 4.653 11.298 -3.852 1.00 0.00 C ATOM 870 CG ASP A 57 3.860 11.162 -2.570 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.062 10.159 -1.848 1.00 0.00 O ATOM 872 OD2 ASP A 57 3.059 12.067 -2.256 1.00 0.00 O ATOM 0 H ASP A 57 4.216 8.915 -3.455 1.00 0.00 H new ATOM 0 HA ASP A 57 3.219 10.716 -5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.703 11.094 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.592 12.329 -4.201 1.00 0.00 H new ATOM 877 N LYS A 58 6.108 9.362 -6.019 1.00 0.00 N ATOM 878 CA LYS A 58 7.216 9.268 -6.959 1.00 0.00 C ATOM 879 C LYS A 58 7.153 7.963 -7.745 1.00 0.00 C ATOM 880 O LYS A 58 6.853 7.960 -8.942 1.00 0.00 O ATOM 881 CB LYS A 58 8.546 9.357 -6.210 1.00 0.00 C ATOM 882 CG LYS A 58 8.737 10.669 -5.468 1.00 0.00 C ATOM 883 CD LYS A 58 10.064 10.708 -4.730 1.00 0.00 C ATOM 884 CE LYS A 58 10.253 12.026 -3.998 1.00 0.00 C ATOM 885 NZ LYS A 58 10.230 13.189 -4.926 1.00 0.00 N ATOM 0 H LYS A 58 6.081 8.613 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 58 7.139 10.098 -7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.609 8.534 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.363 9.228 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.689 11.497 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.921 10.808 -4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.110 9.884 -4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.880 10.563 -5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.467 12.142 -3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.202 12.010 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.593 14.031 -4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.827 12.985 -5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.254 13.364 -5.239 1.00 0.00 H new ATOM 899 N ILE A 59 7.437 6.860 -7.064 1.00 0.00 N ATOM 900 CA ILE A 59 7.419 5.542 -7.686 1.00 0.00 C ATOM 901 C ILE A 59 5.986 5.091 -7.917 1.00 0.00 C ATOM 902 O ILE A 59 5.266 4.787 -6.967 1.00 0.00 O ATOM 903 CB ILE A 59 8.120 4.474 -6.814 1.00 0.00 C ATOM 904 CG1 ILE A 59 9.415 5.021 -6.202 1.00 0.00 C ATOM 905 CG2 ILE A 59 8.409 3.227 -7.643 1.00 0.00 C ATOM 906 CD1 ILE A 59 10.424 5.496 -7.225 1.00 0.00 C ATOM 0 H ILE A 59 7.684 6.853 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 59 7.956 5.635 -8.630 1.00 0.00 H new ATOM 0 HB ILE A 59 7.449 4.209 -5.997 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.170 5.849 -5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.872 4.244 -5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.903 2.482 -7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.473 2.819 -8.024 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.058 3.488 -8.479 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.312 5.868 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.700 4.666 -7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.987 6.296 -7.823 1.00 0.00 H new ATOM 918 N LYS A 60 5.569 5.062 -9.167 1.00 0.00 N ATOM 919 CA LYS A 60 4.235 4.602 -9.501 1.00 0.00 C ATOM 920 C LYS A 60 4.318 3.248 -10.194 1.00 0.00 C ATOM 921 O LYS A 60 5.208 3.015 -11.015 1.00 0.00 O ATOM 922 CB LYS A 60 3.517 5.621 -10.395 1.00 0.00 C ATOM 923 CG LYS A 60 4.204 5.846 -11.728 1.00 0.00 C ATOM 924 CD LYS A 60 3.404 6.770 -12.637 1.00 0.00 C ATOM 925 CE LYS A 60 3.258 8.166 -12.043 1.00 0.00 C ATOM 926 NZ LYS A 60 2.486 9.074 -12.937 1.00 0.00 N ATOM 0 H LYS A 60 6.133 5.351 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 60 3.659 4.497 -8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.497 5.281 -10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.448 6.571 -9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.193 6.272 -11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.351 4.887 -12.226 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.895 6.838 -13.608 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.416 6.344 -12.809 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.759 8.098 -11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.246 8.589 -11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.410 10.013 -12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.975 9.159 -13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.534 8.684 -13.089 1.00 0.00 H new ATOM 940 N GLY A 61 3.410 2.352 -9.843 1.00 0.00 N ATOM 941 CA GLY A 61 3.402 1.034 -10.440 1.00 0.00 C ATOM 942 C GLY A 61 4.523 0.160 -9.919 1.00 0.00 C ATOM 943 O GLY A 61 5.292 -0.408 -10.698 1.00 0.00 O ATOM 0 H GLY A 61 2.676 2.514 -9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.445 0.552 -10.239 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.490 1.127 -11.522 1.00 0.00 H new ATOM 947 N LEU A 62 4.637 0.067 -8.602 1.00 0.00 N ATOM 948 CA LEU A 62 5.630 -0.799 -7.996 1.00 0.00 C ATOM 949 C LEU A 62 4.930 -1.938 -7.261 1.00 0.00 C ATOM 950 O LEU A 62 3.936 -1.724 -6.563 1.00 0.00 O ATOM 951 CB LEU A 62 6.569 -0.021 -7.053 1.00 0.00 C ATOM 952 CG LEU A 62 6.027 0.322 -5.662 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.159 0.795 -4.765 1.00 0.00 C ATOM 954 CD2 LEU A 62 4.951 1.393 -5.734 1.00 0.00 C ATOM 0 H LEU A 62 4.056 0.579 -7.938 1.00 0.00 H new ATOM 0 HA LEU A 62 6.255 -1.215 -8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.482 -0.603 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.850 0.909 -7.546 1.00 0.00 H new ATOM 0 HG LEU A 62 5.581 -0.581 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.764 1.037 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.905 0.006 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.620 1.682 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.588 1.612 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.368 2.298 -6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.124 1.037 -6.349 1.00 0.00 H new ATOM 966 N VAL A 63 5.438 -3.143 -7.445 1.00 0.00 N ATOM 967 CA VAL A 63 4.822 -4.331 -6.875 1.00 0.00 C ATOM 968 C VAL A 63 5.499 -4.693 -5.566 1.00 0.00 C ATOM 969 O VAL A 63 6.703 -4.954 -5.529 1.00 0.00 O ATOM 970 CB VAL A 63 4.903 -5.531 -7.842 1.00 0.00 C ATOM 971 CG1 VAL A 63 4.185 -6.745 -7.264 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.327 -5.164 -9.199 1.00 0.00 C ATOM 0 H VAL A 63 6.281 -3.327 -7.988 1.00 0.00 H new ATOM 0 HA VAL A 63 3.771 -4.104 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 63 5.954 -5.790 -7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.256 -7.577 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.649 -7.026 -6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.136 -6.501 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.393 -6.023 -9.867 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.283 -4.873 -9.084 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.891 -4.332 -9.621 1.00 0.00 H new ATOM 982 N LEU A 64 4.727 -4.704 -4.497 1.00 0.00 N ATOM 983 CA LEU A 64 5.275 -4.965 -3.177 1.00 0.00 C ATOM 984 C LEU A 64 4.452 -5.970 -2.400 1.00 0.00 C ATOM 985 O LEU A 64 3.219 -5.962 -2.437 1.00 0.00 O ATOM 986 CB LEU A 64 5.391 -3.677 -2.366 1.00 0.00 C ATOM 987 CG LEU A 64 6.589 -2.802 -2.716 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.426 -1.412 -2.124 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.868 -3.458 -2.215 1.00 0.00 C ATOM 0 H LEU A 64 3.721 -4.536 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 64 6.267 -5.387 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.481 -3.094 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.445 -3.935 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 64 6.650 -2.699 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.291 -0.802 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.523 -0.950 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.347 -1.485 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.722 -2.830 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.814 -3.581 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.985 -4.434 -2.685 1.00 0.00 H new ATOM 1001 N ARG A 65 5.161 -6.849 -1.718 1.00 0.00 N ATOM 1002 CA ARG A 65 4.566 -7.728 -0.733 1.00 0.00 C ATOM 1003 C ARG A 65 3.845 -6.917 0.329 1.00 0.00 C ATOM 1004 O ARG A 65 4.381 -5.943 0.862 1.00 0.00 O ATOM 1005 CB ARG A 65 5.640 -8.591 -0.083 1.00 0.00 C ATOM 1006 CG ARG A 65 6.933 -7.843 0.192 1.00 0.00 C ATOM 1007 CD ARG A 65 7.963 -8.742 0.858 1.00 0.00 C ATOM 1008 NE ARG A 65 8.516 -9.719 -0.082 1.00 0.00 N ATOM 1009 CZ ARG A 65 8.837 -10.977 0.230 1.00 0.00 C ATOM 1010 NH1 ARG A 65 8.558 -11.467 1.428 1.00 0.00 N ATOM 1011 NH2 ARG A 65 9.403 -11.761 -0.679 1.00 0.00 N ATOM 0 H ARG A 65 6.167 -6.973 -1.832 1.00 0.00 H new ATOM 0 HA ARG A 65 3.845 -8.374 -1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.255 -8.992 0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.852 -9.442 -0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.337 -7.455 -0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.729 -6.984 0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.769 -8.132 1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.503 -9.264 1.697 1.00 0.00 H new ATOM 0 HE ARG A 65 8.667 -9.417 -1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.094 -10.882 2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.807 -12.429 1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.592 -11.402 -1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.649 -12.722 -0.442 1.00 0.00 H new ATOM 1025 N THR A 66 2.645 -7.341 0.650 1.00 0.00 N ATOM 1026 CA THR A 66 1.792 -6.612 1.565 1.00 0.00 C ATOM 1027 C THR A 66 2.041 -7.063 3.013 1.00 0.00 C ATOM 1028 O THR A 66 1.148 -7.025 3.859 1.00 0.00 O ATOM 1029 CB THR A 66 0.311 -6.809 1.161 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.559 -6.045 2.003 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.077 -8.280 1.213 1.00 0.00 C ATOM 0 H THR A 66 2.231 -8.199 0.286 1.00 0.00 H new ATOM 0 HA THR A 66 2.029 -5.549 1.509 1.00 0.00 H new ATOM 0 HB THR A 66 0.202 -6.455 0.136 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.304 -6.608 2.301 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.122 -8.391 0.925 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.551 -8.846 0.525 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.062 -8.657 2.226 1.00 0.00 H new ATOM 1039 N GLU A 67 3.282 -7.451 3.308 1.00 0.00 N ATOM 1040 CA GLU A 67 3.627 -7.914 4.647 1.00 0.00 C ATOM 1041 C GLU A 67 3.882 -6.733 5.548 1.00 0.00 C ATOM 1042 O GLU A 67 3.635 -6.770 6.751 1.00 0.00 O ATOM 1043 CB GLU A 67 4.891 -8.755 4.620 1.00 0.00 C ATOM 1044 CG GLU A 67 4.874 -9.858 3.599 1.00 0.00 C ATOM 1045 CD GLU A 67 5.983 -10.848 3.854 1.00 0.00 C ATOM 1046 OE1 GLU A 67 7.109 -10.608 3.385 1.00 0.00 O ATOM 1047 OE2 GLU A 67 5.743 -11.848 4.561 1.00 0.00 O ATOM 0 H GLU A 67 4.056 -7.453 2.644 1.00 0.00 H new ATOM 0 HA GLU A 67 2.793 -8.511 5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.743 -8.105 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.045 -9.191 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.912 -10.369 3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.982 -9.435 2.600 1.00 0.00 H new ATOM 1054 N PHE A 68 4.410 -5.699 4.941 1.00 0.00 N ATOM 1055 CA PHE A 68 4.849 -4.530 5.669 1.00 0.00 C ATOM 1056 C PHE A 68 4.016 -3.310 5.293 1.00 0.00 C ATOM 1057 O PHE A 68 4.422 -2.166 5.514 1.00 0.00 O ATOM 1058 CB PHE A 68 6.341 -4.309 5.403 1.00 0.00 C ATOM 1059 CG PHE A 68 6.697 -4.112 3.956 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.498 -2.894 3.334 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.237 -5.153 3.225 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.831 -2.716 2.004 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.572 -4.984 1.897 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.367 -3.764 1.285 1.00 0.00 C ATOM 0 H PHE A 68 4.548 -5.642 3.932 1.00 0.00 H new ATOM 0 HA PHE A 68 4.706 -4.687 6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.672 -3.437 5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.896 -5.165 5.787 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.077 -2.072 3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.399 -6.110 3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.672 -1.759 1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.994 -5.805 1.337 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.626 -3.630 0.245 1.00 0.00 H new ATOM 1074 N LEU A 69 2.834 -3.562 4.752 1.00 0.00 N ATOM 1075 CA LEU A 69 1.943 -2.487 4.370 1.00 0.00 C ATOM 1076 C LEU A 69 0.679 -2.543 5.197 1.00 0.00 C ATOM 1077 O LEU A 69 0.190 -3.617 5.542 1.00 0.00 O ATOM 1078 CB LEU A 69 1.604 -2.555 2.881 1.00 0.00 C ATOM 1079 CG LEU A 69 2.807 -2.522 1.935 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.362 -2.745 0.498 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.548 -1.200 2.065 1.00 0.00 C ATOM 0 H LEU A 69 2.474 -4.499 4.570 1.00 0.00 H new ATOM 0 HA LEU A 69 2.451 -1.541 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.041 -3.469 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.947 -1.721 2.636 1.00 0.00 H new ATOM 0 HG LEU A 69 3.487 -3.328 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.230 -2.718 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.873 -3.716 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.663 -1.961 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.401 -1.192 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.876 -0.380 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.899 -1.079 3.090 1.00 0.00 H new ATOM 1093 N LYS A 70 0.174 -1.375 5.523 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.994 -1.247 6.368 1.00 0.00 C ATOM 1095 C LYS A 70 -2.099 -0.527 5.618 1.00 0.00 C ATOM 1096 O LYS A 70 -1.869 0.548 5.070 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.623 -0.456 7.620 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.252 -0.996 8.888 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.762 -0.798 8.923 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.149 0.568 9.479 1.00 0.00 C ATOM 1101 NZ LYS A 70 -2.849 1.674 8.531 1.00 0.00 N ATOM 0 H LYS A 70 0.561 -0.485 5.210 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.347 -2.239 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.461 -0.458 7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.927 0.582 7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.026 -2.059 8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.804 -0.502 9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.165 -0.906 7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.215 -1.579 9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.214 0.573 9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.616 0.740 10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.402 2.515 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.835 1.900 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.100 1.381 7.565 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.291 -1.107 5.605 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.426 -0.491 4.928 1.00 0.00 C ATOM 1117 C LYS A 71 -4.699 0.878 5.543 1.00 0.00 C ATOM 1118 O LYS A 71 -4.838 1.004 6.761 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.664 -1.383 5.034 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.820 -0.938 4.151 1.00 0.00 C ATOM 1121 CD LYS A 71 -8.100 -1.676 4.514 1.00 0.00 C ATOM 1122 CE LYS A 71 -9.266 -1.264 3.631 1.00 0.00 C ATOM 1123 NZ LYS A 71 -9.116 -1.749 2.234 1.00 0.00 N ATOM 0 H LYS A 71 -3.498 -2.000 6.053 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.189 -0.369 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.388 -2.404 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.998 -1.403 6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.972 0.136 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.575 -1.121 3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.938 -2.750 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.348 -1.479 5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.193 -1.655 4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.351 -0.177 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.900 -1.387 1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.213 -1.411 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.130 -2.789 2.224 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.747 1.901 4.708 1.00 0.00 N ATOM 1138 CA ALA A 72 -4.845 3.273 5.181 1.00 0.00 C ATOM 1139 C ALA A 72 -6.278 3.788 5.082 1.00 0.00 C ATOM 1140 O ALA A 72 -7.235 3.034 5.275 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.902 4.154 4.374 1.00 0.00 C ATOM 0 H ALA A 72 -4.720 1.808 3.693 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.557 3.304 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.974 5.183 4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.879 3.799 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.177 4.112 3.320 1.00 0.00 H new ATOM 1147 N GLY A 73 -6.413 5.079 4.805 1.00 0.00 N ATOM 1148 CA GLY A 73 -7.714 5.670 4.590 1.00 0.00 C ATOM 1149 C GLY A 73 -7.666 6.757 3.534 1.00 0.00 C ATOM 1150 O GLY A 73 -6.668 7.474 3.431 1.00 0.00 O ATOM 0 H GLY A 73 -5.633 5.731 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.419 4.897 4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.084 6.088 5.526 1.00 0.00 H new ATOM 1154 N SER A 74 -8.747 6.863 2.756 1.00 0.00 N ATOM 1155 CA SER A 74 -8.909 7.888 1.711 1.00 0.00 C ATOM 1156 C SER A 74 -7.725 7.932 0.731 1.00 0.00 C ATOM 1157 O SER A 74 -7.730 7.149 -0.246 1.00 0.00 O ATOM 1158 CB SER A 74 -9.167 9.271 2.341 1.00 0.00 C ATOM 1159 OG SER A 74 -8.176 9.615 3.297 1.00 0.00 O ATOM 1160 OXT SER A 74 -6.816 8.772 0.914 1.00 0.00 O ATOM 0 H SER A 74 -9.546 6.234 2.832 1.00 0.00 H new ATOM 0 HA SER A 74 -9.782 7.607 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.192 10.027 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.147 9.275 2.818 1.00 0.00 H new ATOM 0 HG SER A 74 -7.370 9.081 3.139 1.00 0.00 H new TER 1166 SER A 74